HEADER DNA-RNA HYBRID 16-DEC-99 XXXX TITLE RNA/DNA DODECAMER R(GC)D(GTATACGC) WITH MAGNESIUM BINDING SITES KEYWDS DNA CONFORMATION, RNA/DNA HYBRID, METAL IONS, DNA-RNA COMPLEX, DNA- KEYWDS 2 RNA HYBRID COMPLEX, DNA-RNA HYBRID EXPDTA X-RAY DIFFRACTION AUTHOR H.ROBINSON,Y.-G.GAO,R.SANISHVILI,A.JOACHIMIAK,A.H.-J.WANG JRNL AUTH H.ROBINSON,Y.G.GAO,R.SANISHVILI,A.JOACHIMIAK,A.H.WANG JRNL TITL HEXAHYDRATED MAGNESIUM IONS BIND IN THE DEEP MAJOR GROOVE JRNL TITL 2 AND AT THE OUTER MOUTH OF A-FORM NUCLEIC ACID DUPLEXES. JRNL REF NUCLEIC ACIDS RES. V. 28 1760 2000 JRNL REFN ISSN 0305-1048 JRNL PMID 10734195 JRNL DOI 10.1093/NAR/28.8.1760 SEQRES 1 A 10 G C DG DT DA DT DA DC DG DC SEQRES 1 B 10 G C DG DT DA DT DA DC DG DC HETNAM MG MAGNESIUM ION FORMUL 3 MG MG 2+ FORMUL 4 HOH *51(H2 O) LINK MG MG A 21 O HOH B 151 1555 1555 2.06 LINK MG MG A 21 O HOH A 146 1555 1555 2.06 LINK MG MG A 21 O HOH A 150 1555 1555 2.06 LINK MG MG A 21 O HOH A 148 1555 1555 2.07 LINK MG MG A 21 O HOH A 149 1555 1555 2.06 LINK MG MG A 21 O HOH A 147 1555 1555 2.05 SITE 1 AC1 6 HOH A 146 HOH A 147 HOH A 148 HOH A 149 SITE 2 AC1 6 HOH A 150 HOH B 151 CRYST1 25.538 43.725 45.466 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.039157 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022870 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021994 0.00000 MODEL 1 ATOM 1 O5' G A 1 -3.378 5.082 6.298 1.00 72.80 O ATOM 2 C5' G A 1 -4.510 5.950 6.093 1.00 34.75 C ATOM 3 C4' G A 1 -4.082 7.399 6.213 1.00 36.18 C ATOM 4 O4' G A 1 -5.200 8.159 6.720 1.00 31.10 O ATOM 5 C3' G A 1 -2.908 7.677 7.142 1.00 34.95 C ATOM 6 O3' G A 1 -1.772 8.140 6.385 1.00 34.19 O ATOM 7 C2' G A 1 -3.340 8.875 7.974 1.00 33.07 C ATOM 8 O2' G A 1 -2.929 10.095 7.395 1.00 29.78 O ATOM 9 C1' G A 1 -4.849 8.770 7.954 1.00 30.25 C ATOM 10 N9 G A 1 -5.310 7.919 9.042 1.00 29.23 N ATOM 11 C8 G A 1 -5.952 6.712 8.960 1.00 37.73 C ATOM 12 N7 G A 1 -6.158 6.160 10.123 1.00 36.06 N ATOM 13 C5 G A 1 -5.574 7.052 11.021 1.00 30.01 C ATOM 14 C6 G A 1 -5.525 7.008 12.437 1.00 33.68 C ATOM 15 O6 G A 1 -6.004 6.132 13.171 1.00 27.60 O ATOM 16 N1 G A 1 -4.962 8.166 12.963 1.00 28.00 N ATOM 17 C2 G A 1 -4.464 9.213 12.228 1.00 25.41 C ATOM 18 N2 G A 1 -3.903 10.231 12.903 1.00 24.57 N ATOM 19 N3 G A 1 -4.486 9.252 10.908 1.00 27.47 N ATOM 20 C4 G A 1 -5.130 8.184 10.382 1.00 29.64 C ATOM 21 P C A 2 -0.340 7.503 6.732 1.00 39.30 P ATOM 22 OP1 C A 2 0.647 8.124 5.806 1.00 39.72 O ATOM 23 OP2 C A 2 -0.481 6.051 6.890 1.00 37.83 O ATOM 24 O5' C A 2 -0.019 8.144 8.165 1.00 33.47 O ATOM 25 C5' C A 2 0.259 9.562 8.254 1.00 30.02 C ATOM 26 C4' C A 2 0.356 9.887 9.730 1.00 23.77 C ATOM 27 O4' C A 2 -0.946 9.703 10.339 1.00 25.75 O ATOM 28 C3' C A 2 1.185 8.815 10.489 1.00 26.60 C ATOM 29 O3' C A 2 2.576 9.079 10.286 1.00 30.90 O ATOM 30 C2' C A 2 0.728 9.166 11.899 1.00 23.64 C ATOM 31 O2' C A 2 1.151 10.479 12.275 1.00 27.06 O ATOM 32 C1' C A 2 -0.786 9.196 11.654 1.00 26.53 C ATOM 33 N1 C A 2 -1.380 7.852 11.751 1.00 28.31 N ATOM 34 C2 C A 2 -1.684 7.420 13.057 1.00 21.83 C ATOM 35 O2 C A 2 -1.453 8.200 13.994 1.00 27.25 O ATOM 36 N3 C A 2 -2.240 6.206 13.251 1.00 18.75 N ATOM 37 C4 C A 2 -2.468 5.411 12.195 1.00 23.90 C ATOM 38 N4 C A 2 -2.938 4.184 12.454 1.00 34.16 N ATOM 39 C5 C A 2 -2.125 5.789 10.866 1.00 21.93 C ATOM 40 C6 C A 2 -1.563 7.003 10.699 1.00 25.93 C ATOM 41 P DG A 3 3.644 7.976 10.764 1.00 30.16 P ATOM 42 OP1 DG A 3 5.000 8.543 10.556 1.00 32.43 O ATOM 43 OP2 DG A 3 3.242 6.691 10.150 1.00 28.23 O ATOM 44 O5' DG A 3 3.414 7.881 12.332 1.00 28.60 O ATOM 45 C5' DG A 3 4.020 8.838 13.224 1.00 34.20 C ATOM 46 C4' DG A 3 3.658 8.450 14.642 1.00 27.60 C ATOM 47 O4' DG A 3 2.269 8.065 14.702 1.00 22.69 O ATOM 48 C3' DG A 3 4.364 7.147 15.083 1.00 21.61 C ATOM 49 O3' DG A 3 5.604 7.597 15.654 1.00 24.28 O ATOM 50 C2' DG A 3 3.457 6.747 16.260 1.00 20.86 C ATOM 51 C1' DG A 3 2.087 7.063 15.692 1.00 21.46 C ATOM 52 N9 DG A 3 1.471 5.931 14.994 1.00 21.45 N ATOM 53 C8 DG A 3 1.222 5.744 13.662 1.00 23.30 C ATOM 54 N7 DG A 3 0.606 4.592 13.433 1.00 24.82 N ATOM 55 C5 DG A 3 0.342 4.089 14.693 1.00 22.40 C ATOM 56 C6 DG A 3 -0.346 2.924 15.125 1.00 23.86 C ATOM 57 O6 DG A 3 -0.883 2.069 14.420 1.00 22.19 O ATOM 58 N1 DG A 3 -0.287 2.771 16.509 1.00 23.38 N ATOM 59 C2 DG A 3 0.309 3.612 17.405 1.00 23.95 C ATOM 60 N2 DG A 3 0.234 3.281 18.703 1.00 25.35 N ATOM 61 N3 DG A 3 0.872 4.747 17.023 1.00 20.16 N ATOM 62 C4 DG A 3 0.912 4.867 15.677 1.00 16.85 C ATOM 63 P DT A 4 6.776 6.565 15.991 1.00 27.00 P ATOM 64 OP1 DT A 4 7.960 7.393 16.355 1.00 26.47 O ATOM 65 OP2 DT A 4 6.876 5.615 14.854 1.00 35.98 O ATOM 66 O5' DT A 4 6.254 5.797 17.254 1.00 22.93 O ATOM 67 C5' DT A 4 6.312 6.257 18.600 1.00 19.51 C ATOM 68 C4' DT A 4 5.913 5.161 19.563 1.00 27.54 C ATOM 69 O4' DT A 4 4.564 4.700 19.330 1.00 29.32 O ATOM 70 C3' DT A 4 6.744 3.881 19.373 1.00 28.18 C ATOM 71 O3' DT A 4 7.973 4.038 20.102 1.00 29.62 O ATOM 72 C2' DT A 4 5.850 2.874 20.064 1.00 21.54 C ATOM 73 C1' DT A 4 4.466 3.306 19.594 1.00 25.07 C ATOM 74 N1 DT A 4 4.007 2.595 18.389 1.00 26.81 N ATOM 75 C2 DT A 4 3.215 1.495 18.555 1.00 27.33 C ATOM 76 O2 DT A 4 2.971 0.981 19.644 1.00 24.86 O ATOM 77 N3 DT A 4 2.692 0.990 17.382 1.00 23.57 N ATOM 78 C4 DT A 4 2.837 1.466 16.096 1.00 20.48 C ATOM 79 O4 DT A 4 2.282 0.884 15.141 1.00 22.31 O ATOM 80 C5 DT A 4 3.739 2.584 15.990 1.00 20.62 C ATOM 81 C7 DT A 4 4.054 3.170 14.637 1.00 26.88 C ATOM 82 C6 DT A 4 4.229 3.112 17.125 1.00 23.09 C ATOM 83 P DA A 5 9.295 3.416 19.428 1.00 27.34 P ATOM 84 OP1 DA A 5 10.431 3.732 20.325 1.00 30.27 O ATOM 85 OP2 DA A 5 9.329 3.746 17.986 1.00 27.67 O ATOM 86 O5' DA A 5 9.022 1.863 19.569 1.00 23.46 O ATOM 87 C5' DA A 5 9.291 0.955 18.476 1.00 29.71 C ATOM 88 C4' DA A 5 8.541 -0.297 18.846 1.00 24.38 C ATOM 89 O4' DA A 5 7.112 -0.080 18.756 1.00 23.31 O ATOM 90 C3' DA A 5 8.834 -1.533 18.001 1.00 24.45 C ATOM 91 O3' DA A 5 10.015 -2.172 18.520 1.00 25.29 O ATOM 92 C2' DA A 5 7.624 -2.378 18.342 1.00 26.29 C ATOM 93 C1' DA A 5 6.508 -1.339 18.464 1.00 26.26 C ATOM 94 N9 DA A 5 5.783 -1.187 17.202 1.00 24.65 N ATOM 95 C8 DA A 5 5.952 -0.200 16.260 1.00 18.54 C ATOM 96 N7 DA A 5 5.189 -0.336 15.201 1.00 22.19 N ATOM 97 C5 DA A 5 4.532 -1.538 15.457 1.00 23.31 C ATOM 98 C6 DA A 5 3.544 -2.208 14.714 1.00 23.91 C ATOM 99 N6 DA A 5 3.100 -1.774 13.529 1.00 29.93 N ATOM 100 N1 DA A 5 3.005 -3.301 15.285 1.00 24.82 N ATOM 101 C2 DA A 5 3.440 -3.699 16.488 1.00 19.59 C ATOM 102 N3 DA A 5 4.346 -3.157 17.290 1.00 21.54 N ATOM 103 C4 DA A 5 4.811 -2.020 16.721 1.00 23.99 C ATOM 104 P DT A 6 10.896 -3.071 17.497 1.00 32.73 P ATOM 105 OP1 DT A 6 12.066 -3.566 18.267 1.00 35.84 O ATOM 106 OP2 DT A 6 11.163 -2.303 16.257 1.00 31.34 O ATOM 107 O5' DT A 6 9.960 -4.306 17.214 1.00 32.20 O ATOM 108 C5' DT A 6 9.745 -5.318 18.217 1.00 24.78 C ATOM 109 C4' DT A 6 8.722 -6.307 17.702 1.00 27.28 C ATOM 110 O4' DT A 6 7.488 -5.633 17.415 1.00 30.18 O ATOM 111 C3' DT A 6 9.112 -6.869 16.309 1.00 22.04 C ATOM 112 O3' DT A 6 9.936 -8.007 16.601 1.00 33.00 O ATOM 113 C2' DT A 6 7.749 -7.372 15.841 1.00 27.03 C ATOM 114 C1' DT A 6 6.824 -6.267 16.320 1.00 28.40 C ATOM 115 N1 DT A 6 6.551 -5.242 15.294 1.00 25.10 N ATOM 116 C2 DT A 6 5.560 -5.504 14.395 1.00 23.69 C ATOM 117 O2 DT A 6 4.809 -6.463 14.503 1.00 30.27 O ATOM 118 N3 DT A 6 5.419 -4.590 13.376 1.00 25.92 N ATOM 119 C4 DT A 6 6.255 -3.528 13.096 1.00 26.02 C ATOM 120 O4 DT A 6 6.009 -2.785 12.157 1.00 23.19 O ATOM 121 C5 DT A 6 7.318 -3.331 14.067 1.00 26.06 C ATOM 122 C7 DT A 6 8.161 -2.101 13.937 1.00 31.25 C ATOM 123 C6 DT A 6 7.393 -4.166 15.107 1.00 23.82 C ATOM 124 P DA A 7 10.900 -8.589 15.476 1.00 30.42 P ATOM 125 OP1 DA A 7 11.795 -9.560 16.153 1.00 35.64 O ATOM 126 OP2 DA A 7 11.452 -7.469 14.663 1.00 28.00 O ATOM 127 O5' DA A 7 9.937 -9.418 14.502 1.00 26.95 O ATOM 128 C5' DA A 7 9.323 -10.643 14.947 1.00 30.61 C ATOM 129 C4' DA A 7 8.324 -11.129 13.917 1.00 30.16 C ATOM 130 O4' DA A 7 7.242 -10.157 13.861 1.00 28.84 O ATOM 131 C3' DA A 7 8.842 -11.111 12.471 1.00 24.42 C ATOM 132 O3' DA A 7 9.608 -12.271 12.161 1.00 24.96 O ATOM 133 C2' DA A 7 7.519 -11.123 11.716 1.00 23.25 C ATOM 134 C1' DA A 7 6.753 -10.078 12.527 1.00 31.73 C ATOM 135 N9 DA A 7 6.995 -8.720 12.019 1.00 26.40 N ATOM 136 C8 DA A 7 7.844 -7.746 12.460 1.00 30.65 C ATOM 137 N7 DA A 7 7.748 -6.617 11.791 1.00 29.96 N ATOM 138 C5 DA A 7 6.686 -6.843 10.928 1.00 29.08 C ATOM 139 C6 DA A 7 5.995 -6.020 10.019 1.00 20.56 C ATOM 140 N6 DA A 7 6.368 -4.778 9.718 1.00 30.58 N ATOM 141 N1 DA A 7 4.998 -6.573 9.304 1.00 27.01 N ATOM 142 C2 DA A 7 4.633 -7.835 9.571 1.00 22.12 C ATOM 143 N3 DA A 7 5.154 -8.690 10.442 1.00 21.65 N ATOM 144 C4 DA A 7 6.169 -8.112 11.099 1.00 22.38 C ATOM 145 P DC A 8 10.698 -12.260 10.999 1.00 29.91 P ATOM 146 OP1 DC A 8 11.432 -13.554 11.005 1.00 30.31 O ATOM 147 OP2 DC A 8 11.450 -10.977 11.069 1.00 32.93 O ATOM 148 O5' DC A 8 9.841 -12.256 9.645 1.00 25.40 O ATOM 149 C5' DC A 8 8.968 -13.373 9.368 1.00 20.95 C ATOM 150 C4' DC A 8 8.104 -13.034 8.174 1.00 19.45 C ATOM 151 O4' DC A 8 7.269 -11.887 8.502 1.00 22.85 O ATOM 152 C3' DC A 8 8.906 -12.573 6.954 1.00 22.78 C ATOM 153 O3' DC A 8 9.370 -13.737 6.244 1.00 22.49 O ATOM 154 C2' DC A 8 7.842 -11.837 6.172 1.00 22.39 C ATOM 155 C1' DC A 8 7.080 -11.136 7.301 1.00 25.82 C ATOM 156 N1 DC A 8 7.593 -9.769 7.522 1.00 24.75 N ATOM 157 C2 DC A 8 7.044 -8.764 6.726 1.00 26.99 C ATOM 158 O2 DC A 8 6.164 -9.114 5.915 1.00 26.87 O ATOM 159 N3 DC A 8 7.532 -7.502 6.844 1.00 28.34 N ATOM 160 C4 DC A 8 8.384 -7.200 7.823 1.00 22.26 C ATOM 161 N4 DC A 8 8.861 -5.950 7.877 1.00 29.46 N ATOM 162 C5 DC A 8 9.008 -8.230 8.596 1.00 20.95 C ATOM 163 C6 DC A 8 8.583 -9.483 8.406 1.00 21.45 C ATOM 164 P DG A 9 10.615 -13.577 5.222 1.00 25.59 P ATOM 165 OP1 DG A 9 10.801 -14.959 4.693 1.00 27.07 O ATOM 166 OP2 DG A 9 11.653 -12.808 5.930 1.00 23.56 O ATOM 167 O5' DG A 9 10.075 -12.688 4.030 1.00 26.11 O ATOM 168 C5' DG A 9 9.092 -13.179 3.097 1.00 29.75 C ATOM 169 C4' DG A 9 8.652 -12.105 2.136 1.00 24.47 C ATOM 170 O4' DG A 9 8.010 -11.026 2.860 1.00 24.27 O ATOM 171 C3' DG A 9 9.798 -11.354 1.434 1.00 21.61 C ATOM 172 O3' DG A 9 10.306 -12.211 0.417 1.00 21.05 O ATOM 173 C2' DG A 9 9.006 -10.168 0.889 1.00 19.15 C ATOM 174 C1' DG A 9 8.172 -9.804 2.110 1.00 19.23 C ATOM 175 N9 DG A 9 8.802 -8.844 3.004 1.00 23.80 N ATOM 176 C8 DG A 9 9.474 -9.040 4.181 1.00 31.01 C ATOM 177 N7 DG A 9 9.973 -7.934 4.690 1.00 25.65 N ATOM 178 C5 DG A 9 9.691 -6.974 3.744 1.00 21.95 C ATOM 179 C6 DG A 9 9.925 -5.570 3.778 1.00 25.06 C ATOM 180 O6 DG A 9 10.474 -4.920 4.678 1.00 25.37 O ATOM 181 N1 DG A 9 9.397 -4.940 2.655 1.00 28.77 N ATOM 182 C2 DG A 9 8.697 -5.564 1.651 1.00 31.47 C ATOM 183 N2 DG A 9 8.283 -4.775 0.659 1.00 27.43 N ATOM 184 N3 DG A 9 8.465 -6.870 1.609 1.00 23.70 N ATOM 185 C4 DG A 9 8.888 -7.477 2.743 1.00 21.34 C ATOM 186 P DC A 10 11.730 -12.020 -0.236 1.00 23.87 P ATOM 187 OP1 DC A 10 11.975 -13.114 -1.193 1.00 25.69 O ATOM 188 OP2 DC A 10 12.736 -11.736 0.847 1.00 25.61 O ATOM 189 O5' DC A 10 11.568 -10.639 -1.012 1.00 19.98 O ATOM 190 C5' DC A 10 10.699 -10.519 -2.148 1.00 21.89 C ATOM 191 C4' DC A 10 10.742 -9.136 -2.715 1.00 24.40 C ATOM 192 O4' DC A 10 10.213 -8.204 -1.714 1.00 20.84 O ATOM 193 C3' DC A 10 12.154 -8.567 -2.972 1.00 21.94 C ATOM 194 O3' DC A 10 12.573 -8.937 -4.298 1.00 21.28 O ATOM 195 C2' DC A 10 11.821 -7.076 -3.038 1.00 26.55 C ATOM 196 C1' DC A 10 10.822 -6.953 -1.886 1.00 21.34 C ATOM 197 N1 DC A 10 11.454 -6.578 -0.626 1.00 23.92 N ATOM 198 C2 DC A 10 11.688 -5.205 -0.453 1.00 26.59 C ATOM 199 O2 DC A 10 11.331 -4.450 -1.376 1.00 20.58 O ATOM 200 N3 DC A 10 12.328 -4.800 0.653 1.00 26.33 N ATOM 201 C4 DC A 10 12.622 -5.665 1.629 1.00 22.06 C ATOM 202 N4 DC A 10 13.186 -5.169 2.730 1.00 22.35 N ATOM 203 C5 DC A 10 12.396 -7.062 1.481 1.00 23.61 C ATOM 204 C6 DC A 10 11.796 -7.467 0.344 1.00 21.54 C TER 205 DC A 10 ATOM 206 O5' G B 11 14.360 5.059 3.363 1.00 45.53 O ATOM 207 C5' G B 11 13.985 5.984 2.317 1.00 27.51 C ATOM 208 C4' G B 11 13.457 5.236 1.124 1.00 27.10 C ATOM 209 O4' G B 11 14.367 4.143 0.779 1.00 29.78 O ATOM 210 C3' G B 11 12.126 4.504 1.323 1.00 29.61 C ATOM 211 O3' G B 11 11.041 5.421 1.192 1.00 26.16 O ATOM 212 C2' G B 11 12.156 3.514 0.174 1.00 27.22 C ATOM 213 O2' G B 11 12.056 4.189 -1.090 1.00 28.98 O ATOM 214 C1' G B 11 13.614 3.049 0.276 1.00 31.13 C ATOM 215 N9 G B 11 13.771 1.949 1.226 1.00 34.52 N ATOM 216 C8 G B 11 14.505 1.891 2.382 1.00 31.76 C ATOM 217 N7 G B 11 14.583 0.674 2.858 1.00 30.26 N ATOM 218 C5 G B 11 13.829 -0.103 1.998 1.00 26.08 C ATOM 219 C6 G B 11 13.533 -1.494 1.988 1.00 29.77 C ATOM 220 O6 G B 11 13.871 -2.358 2.821 1.00 25.10 O ATOM 221 N1 G B 11 12.758 -1.826 0.870 1.00 22.16 N ATOM 222 C2 G B 11 12.312 -0.971 -0.100 1.00 35.71 C ATOM 223 N2 G B 11 11.567 -1.484 -1.090 1.00 25.27 N ATOM 224 N3 G B 11 12.617 0.322 -0.124 1.00 37.33 N ATOM 225 C4 G B 11 13.331 0.667 0.972 1.00 29.54 C ATOM 226 P C B 12 9.717 5.190 2.065 1.00 34.55 P ATOM 227 OP1 C B 12 8.850 6.349 1.785 1.00 35.53 O ATOM 228 OP2 C B 12 10.123 4.786 3.436 1.00 29.08 O ATOM 229 O5' C B 12 9.019 3.924 1.380 1.00 30.08 O ATOM 230 C5' C B 12 8.779 3.988 -0.043 1.00 28.78 C ATOM 231 C4' C B 12 8.150 2.688 -0.500 1.00 29.46 C ATOM 232 O4' C B 12 9.249 1.707 -0.515 1.00 26.90 O ATOM 233 C3' C B 12 7.150 2.061 0.468 1.00 28.92 C ATOM 234 O3' C B 12 5.799 2.551 0.370 1.00 26.78 O ATOM 235 C2' C B 12 7.182 0.619 -0.028 1.00 25.47 C ATOM 236 O2' C B 12 6.548 0.537 -1.291 1.00 27.90 O ATOM 237 C1' C B 12 8.682 0.431 -0.240 1.00 24.00 C ATOM 238 N1 C B 12 9.282 -0.110 0.991 1.00 25.96 N ATOM 239 C2 C B 12 9.134 -1.489 1.193 1.00 32.29 C ATOM 240 O2 C B 12 8.495 -2.150 0.355 1.00 23.71 O ATOM 241 N3 C B 12 9.738 -2.012 2.276 1.00 29.04 N ATOM 242 C4 C B 12 10.344 -1.235 3.180 1.00 34.59 C ATOM 243 N4 C B 12 10.910 -1.825 4.241 1.00 27.72 N ATOM 244 C5 C B 12 10.556 0.162 2.959 1.00 29.05 C ATOM 245 C6 C B 12 9.997 0.661 1.850 1.00 29.74 C ATOM 246 P DG B 13 4.867 2.346 1.668 1.00 31.42 P ATOM 247 OP1 DG B 13 3.674 3.205 1.544 1.00 31.18 O ATOM 248 OP2 DG B 13 5.704 2.392 2.887 1.00 39.95 O ATOM 249 O5' DG B 13 4.336 0.837 1.511 1.00 28.47 O ATOM 250 C5' DG B 13 3.773 0.458 0.238 1.00 29.26 C ATOM 251 C4' DG B 13 3.602 -1.036 0.168 1.00 31.67 C ATOM 252 O4' DG B 13 4.901 -1.662 0.290 1.00 26.88 O ATOM 253 C3' DG B 13 2.800 -1.635 1.339 1.00 31.47 C ATOM 254 O3' DG B 13 1.409 -1.592 1.003 1.00 25.11 O ATOM 255 C2' DG B 13 3.284 -3.079 1.285 1.00 29.82 C ATOM 256 C1' DG B 13 4.768 -2.869 1.023 1.00 31.65 C ATOM 257 N9 DG B 13 5.585 -2.808 2.233 1.00 28.15 N ATOM 258 C8 DG B 13 6.072 -1.686 2.866 1.00 30.07 C ATOM 259 N7 DG B 13 6.735 -1.956 3.961 1.00 22.09 N ATOM 260 C5 DG B 13 6.551 -3.332 4.120 1.00 27.96 C ATOM 261 C6 DG B 13 6.992 -4.203 5.147 1.00 30.76 C ATOM 262 O6 DG B 13 7.553 -3.911 6.227 1.00 26.58 O ATOM 263 N1 DG B 13 6.625 -5.518 4.875 1.00 25.42 N ATOM 264 C2 DG B 13 5.963 -5.984 3.781 1.00 23.17 C ATOM 265 N2 DG B 13 5.742 -7.309 3.742 1.00 29.99 N ATOM 266 N3 DG B 13 5.557 -5.189 2.796 1.00 24.86 N ATOM 267 C4 DG B 13 5.885 -3.884 3.043 1.00 28.84 C ATOM 268 P DT B 14 0.309 -1.564 2.165 1.00 28.25 P ATOM 269 OP1 DT B 14 -1.021 -1.408 1.551 1.00 27.76 O ATOM 270 OP2 DT B 14 0.774 -0.684 3.262 1.00 25.95 O ATOM 271 O5' DT B 14 0.405 -3.072 2.731 1.00 26.43 O ATOM 272 C5' DT B 14 -0.015 -4.182 1.918 1.00 26.10 C ATOM 273 C4' DT B 14 0.177 -5.456 2.710 1.00 21.78 C ATOM 274 O4' DT B 14 1.601 -5.638 2.947 1.00 23.55 O ATOM 275 C3' DT B 14 -0.372 -5.337 4.152 1.00 28.37 C ATOM 276 O3' DT B 14 -1.765 -5.632 4.074 1.00 29.59 O ATOM 277 C2' DT B 14 0.347 -6.532 4.784 1.00 25.89 C ATOM 278 C1' DT B 14 1.736 -6.280 4.223 1.00 24.60 C ATOM 279 N1 DT B 14 2.530 -5.430 5.120 1.00 25.47 N ATOM 280 C2 DT B 14 3.129 -6.062 6.182 1.00 27.75 C ATOM 281 O2 DT B 14 3.005 -7.270 6.284 1.00 28.74 O ATOM 282 N3 DT B 14 3.792 -5.233 7.052 1.00 24.01 N ATOM 283 C4 DT B 14 3.934 -3.857 6.934 1.00 29.21 C ATOM 284 O4 DT B 14 4.660 -3.246 7.715 1.00 29.99 O ATOM 285 C5 DT B 14 3.324 -3.269 5.763 1.00 26.36 C ATOM 286 C7 DT B 14 3.343 -1.784 5.561 1.00 29.22 C ATOM 287 C6 DT B 14 2.630 -4.076 4.956 1.00 26.55 C ATOM 288 P DA B 15 -2.747 -5.199 5.264 1.00 29.89 P ATOM 289 OP1 DA B 15 -4.116 -5.560 4.867 1.00 29.47 O ATOM 290 OP2 DA B 15 -2.440 -3.778 5.617 1.00 32.01 O ATOM 291 O5' DA B 15 -2.278 -6.082 6.495 1.00 23.00 O ATOM 292 C5' DA B 15 -2.589 -7.493 6.507 1.00 29.74 C ATOM 293 C4' DA B 15 -1.998 -8.158 7.728 1.00 29.37 C ATOM 294 O4' DA B 15 -0.552 -8.055 7.696 1.00 22.78 O ATOM 295 C3' DA B 15 -2.399 -7.561 9.077 1.00 25.33 C ATOM 296 O3' DA B 15 -3.628 -8.145 9.516 1.00 27.80 O ATOM 297 C2' DA B 15 -1.242 -8.043 9.949 1.00 23.56 C ATOM 298 C1' DA B 15 -0.064 -7.845 9.006 1.00 22.68 C ATOM 299 N9 DA B 15 0.596 -6.541 9.085 1.00 25.97 N ATOM 300 C8 DA B 15 0.470 -5.422 8.309 1.00 28.57 C ATOM 301 N7 DA B 15 1.232 -4.417 8.694 1.00 24.38 N ATOM 302 C5 DA B 15 1.845 -4.888 9.841 1.00 26.88 C ATOM 303 C6 DA B 15 2.807 -4.312 10.689 1.00 22.96 C ATOM 304 N6 DA B 15 3.361 -3.124 10.423 1.00 23.13 N ATOM 305 N1 DA B 15 3.291 -5.068 11.707 1.00 23.38 N ATOM 306 C2 DA B 15 2.793 -6.313 11.846 1.00 26.65 C ATOM 307 N3 DA B 15 1.894 -6.965 11.094 1.00 24.63 N ATOM 308 C4 DA B 15 1.561 -6.229 10.027 1.00 21.59 C ATOM 309 P DT B 16 -4.505 -7.627 10.731 1.00 25.65 P ATOM 310 OP1 DT B 16 -5.711 -8.482 10.904 1.00 33.14 O ATOM 311 OP2 DT B 16 -4.688 -6.147 10.644 1.00 26.46 O ATOM 312 O5' DT B 16 -3.597 -7.900 12.020 1.00 27.47 O ATOM 313 C5' DT B 16 -3.550 -9.216 12.606 1.00 32.30 C ATOM 314 C4' DT B 16 -2.705 -9.177 13.869 1.00 21.40 C ATOM 315 O4' DT B 16 -1.385 -8.699 13.538 1.00 26.07 O ATOM 316 C3' DT B 16 -3.193 -8.089 14.850 1.00 28.77 C ATOM 317 O3' DT B 16 -4.271 -8.616 15.628 1.00 31.32 O ATOM 318 C2' DT B 16 -1.948 -7.903 15.689 1.00 21.19 C ATOM 319 C1' DT B 16 -0.866 -7.912 14.600 1.00 27.05 C ATOM 320 N1 DT B 16 -0.543 -6.563 14.087 1.00 23.51 N ATOM 321 C2 DT B 16 0.444 -5.868 14.725 1.00 25.62 C ATOM 322 O2 DT B 16 1.028 -6.260 15.715 1.00 30.32 O ATOM 323 N3 DT B 16 0.822 -4.676 14.141 1.00 26.13 N ATOM 324 C4 DT B 16 0.157 -4.039 13.111 1.00 24.95 C ATOM 325 O4 DT B 16 0.630 -2.987 12.680 1.00 20.89 O ATOM 326 C5 DT B 16 -0.831 -4.852 12.431 1.00 20.49 C ATOM 327 C7 DT B 16 -1.503 -4.265 11.226 1.00 24.79 C ATOM 328 C6 DT B 16 -1.122 -6.055 12.940 1.00 26.66 C ATOM 329 P DA B 17 -5.371 -7.597 16.174 1.00 34.00 P ATOM 330 OP1 DA B 17 -6.509 -8.376 16.718 1.00 49.49 O ATOM 331 OP2 DA B 17 -5.580 -6.524 15.160 1.00 33.42 O ATOM 332 O5' DA B 17 -4.701 -6.917 17.456 1.00 31.97 O ATOM 333 C5' DA B 17 -4.319 -7.668 18.615 1.00 27.46 C ATOM 334 C4' DA B 17 -3.495 -6.777 19.524 1.00 30.17 C ATOM 335 O4' DA B 17 -2.240 -6.487 18.852 1.00 31.17 O ATOM 336 C3' DA B 17 -4.048 -5.368 19.784 1.00 31.27 C ATOM 337 O3' DA B 17 -4.981 -5.381 20.874 1.00 32.24 O ATOM 338 C2' DA B 17 -2.774 -4.680 20.281 1.00 27.76 C ATOM 339 C1' DA B 17 -1.716 -5.256 19.345 1.00 33.21 C ATOM 340 N9 DA B 17 -1.442 -4.394 18.199 1.00 26.45 N ATOM 341 C8 DA B 17 -2.061 -4.409 16.969 1.00 22.65 C ATOM 342 N7 DA B 17 -1.562 -3.527 16.130 1.00 23.95 N ATOM 343 C5 DA B 17 -0.604 -2.857 16.886 1.00 20.80 C ATOM 344 C6 DA B 17 0.301 -1.831 16.562 1.00 24.11 C ATOM 345 N6 DA B 17 0.350 -1.197 15.383 1.00 24.15 N ATOM 346 N1 DA B 17 1.055 -1.354 17.578 1.00 26.22 N ATOM 347 C2 DA B 17 0.992 -1.922 18.781 1.00 24.73 C ATOM 348 N3 DA B 17 0.224 -2.928 19.199 1.00 23.53 N ATOM 349 C4 DA B 17 -0.525 -3.366 18.162 1.00 26.78 C ATOM 350 P DC B 18 -6.206 -4.348 20.922 1.00 37.24 P ATOM 351 OP1 DC B 18 -7.195 -4.890 21.886 1.00 44.08 O ATOM 352 OP2 DC B 18 -6.614 -4.031 19.528 1.00 49.95 O ATOM 353 O5' DC B 18 -5.619 -3.028 21.576 1.00 41.38 O ATOM 354 C5' DC B 18 -4.629 -3.045 22.617 1.00 36.05 C ATOM 355 C4' DC B 18 -4.051 -1.637 22.711 1.00 35.87 C ATOM 356 O4' DC B 18 -3.149 -1.460 21.598 1.00 33.01 O ATOM 357 C3' DC B 18 -5.106 -0.531 22.584 1.00 42.77 C ATOM 358 O3' DC B 18 -4.871 0.461 23.585 1.00 47.28 O ATOM 359 C2' DC B 18 -4.861 0.078 21.222 1.00 32.70 C ATOM 360 C1' DC B 18 -3.386 -0.207 20.971 1.00 32.68 C ATOM 361 N1 DC B 18 -3.039 -0.365 19.546 1.00 33.25 N ATOM 362 C2 DC B 18 -2.064 0.477 19.001 1.00 28.93 C ATOM 363 O2 DC B 18 -1.348 1.138 19.773 1.00 34.60 O ATOM 364 N3 DC B 18 -1.926 0.543 17.665 1.00 21.49 N ATOM 365 C4 DC B 18 -2.728 -0.149 16.850 1.00 21.50 C ATOM 366 N4 DC B 18 -2.552 -0.037 15.525 1.00 22.08 N ATOM 367 C5 DC B 18 -3.680 -1.082 17.372 1.00 23.77 C ATOM 368 C6 DC B 18 -3.842 -1.080 18.698 1.00 33.87 C ATOM 369 P DG B 19 -5.824 1.743 23.747 1.00 48.41 P ATOM 370 OP1 DG B 19 -5.968 1.899 25.219 1.00 32.46 O ATOM 371 OP2 DG B 19 -6.981 1.674 22.828 1.00 40.12 O ATOM 372 O5' DG B 19 -4.934 2.969 23.241 1.00 38.17 O ATOM 373 C5' DG B 19 -3.924 3.530 24.104 1.00 26.66 C ATOM 374 C4' DG B 19 -3.035 4.423 23.244 1.00 26.38 C ATOM 375 O4' DG B 19 -2.800 3.662 22.024 1.00 29.99 O ATOM 376 C3' DG B 19 -3.791 5.682 22.753 1.00 23.68 C ATOM 377 O3' DG B 19 -3.454 6.734 23.689 1.00 28.16 O ATOM 378 C2' DG B 19 -3.124 5.938 21.423 1.00 27.57 C ATOM 379 C1' DG B 19 -2.504 4.611 21.005 1.00 27.44 C ATOM 380 N9 DG B 19 -3.087 4.107 19.759 1.00 26.47 N ATOM 381 C8 DG B 19 -3.971 3.097 19.550 1.00 25.00 C ATOM 382 N7 DG B 19 -4.135 2.809 18.291 1.00 27.42 N ATOM 383 C5 DG B 19 -3.497 3.849 17.630 1.00 26.00 C ATOM 384 C6 DG B 19 -3.358 4.127 16.255 1.00 21.83 C ATOM 385 O6 DG B 19 -3.792 3.517 15.269 1.00 27.52 O ATOM 386 N1 DG B 19 -2.630 5.307 16.028 1.00 24.02 N ATOM 387 C2 DG B 19 -2.075 6.079 17.006 1.00 21.14 C ATOM 388 N2 DG B 19 -1.390 7.166 16.586 1.00 25.11 N ATOM 389 N3 DG B 19 -2.122 5.776 18.295 1.00 24.00 N ATOM 390 C4 DG B 19 -2.932 4.722 18.532 1.00 23.17 C ATOM 391 P DC B 20 -4.237 8.135 23.715 1.00 33.93 P ATOM 392 OP1 DC B 20 -3.597 9.017 24.739 1.00 31.97 O ATOM 393 OP2 DC B 20 -5.691 7.913 23.743 1.00 27.18 O ATOM 394 O5' DC B 20 -3.909 8.806 22.301 1.00 38.32 O ATOM 395 C5' DC B 20 -2.900 9.808 22.147 1.00 32.38 C ATOM 396 C4' DC B 20 -2.914 10.420 20.774 1.00 24.58 C ATOM 397 O4' DC B 20 -2.840 9.387 19.762 1.00 24.43 O ATOM 398 C3' DC B 20 -4.185 11.177 20.370 1.00 27.93 C ATOM 399 O3' DC B 20 -4.115 12.508 20.906 1.00 30.81 O ATOM 400 C2' DC B 20 -4.021 11.238 18.858 1.00 21.26 C ATOM 401 C1' DC B 20 -3.261 9.971 18.518 1.00 20.63 C ATOM 402 N1 DC B 20 -4.124 8.938 17.893 1.00 22.11 N ATOM 403 C2 DC B 20 -4.257 8.980 16.502 1.00 29.67 C ATOM 404 O2 DC B 20 -3.728 9.946 15.912 1.00 22.54 O ATOM 405 N3 DC B 20 -4.929 7.978 15.860 1.00 20.90 N ATOM 406 C4 DC B 20 -5.478 7.019 16.607 1.00 25.67 C ATOM 407 N4 DC B 20 -6.103 6.021 15.951 1.00 29.40 N ATOM 408 C5 DC B 20 -5.372 6.977 18.024 1.00 33.58 C ATOM 409 C6 DC B 20 -4.716 7.979 18.645 1.00 25.68 C TER 410 DC B 20 HETATM 411 MG MG A 21 0.625 1.206 10.887 1.00 46.43 MG HETATM 412 O HOH A 101 -0.167 10.505 14.793 1.00 24.02 O HETATM 413 O HOH A 106 7.531 3.072 15.953 1.00 25.51 O HETATM 414 O HOH A 110 9.764 -4.945 11.995 1.00 34.20 O HETATM 415 O HOH A 111 10.274 6.000 21.716 1.00 29.45 O HETATM 416 O HOH A 112 4.570 -4.644 19.490 1.00 26.38 O HETATM 417 O HOH A 113 14.493 -13.544 2.196 1.00 37.42 O HETATM 418 O HOH A 114 7.341 -7.604 -0.776 1.00 30.74 O HETATM 419 O HOH A 115 7.487 -9.811 -3.222 1.00 36.69 O HETATM 420 O HOH A 116 10.647 7.084 17.852 1.00 50.05 O HETATM 421 O HOH A 117 13.421 -11.310 -4.525 1.00 32.43 O HETATM 422 O HOH A 118 9.543 0.802 14.934 1.00 52.46 O HETATM 423 O HOH A 119 2.249 11.078 16.764 1.00 39.12 O HETATM 424 O HOH A 120 5.506 -9.239 -0.738 1.00 41.83 O HETATM 425 O HOH A 121 6.719 5.581 12.560 1.00 54.31 O HETATM 426 O HOH A 122 4.196 -9.287 14.337 1.00 41.87 O HETATM 427 O HOH A 123 6.284 0.859 12.609 1.00 35.32 O HETATM 428 O HOH A 124 3.847 4.444 11.198 1.00 38.77 O HETATM 429 O HOH A 125 7.267 -0.831 10.578 1.00 35.01 O HETATM 430 O HOH A 126 7.290 10.077 17.601 1.00 41.23 O HETATM 431 O HOH A 128 7.921 -12.558 -2.054 1.00 40.47 O HETATM 432 O HOH A 129 9.718 -14.212 -2.271 1.00 42.41 O HETATM 433 O HOH A 130 0.839 4.990 8.919 1.00 52.90 O HETATM 434 O HOH A 132 8.899 -2.548 10.241 1.00 46.75 O HETATM 435 O HOH A 133 13.434 6.276 22.347 1.00 38.29 O HETATM 436 O HOH A 134 14.163 -13.051 -2.541 1.00 36.57 O HETATM 437 O HOH A 136 11.605 -5.217 9.617 1.00 53.49 O HETATM 438 O HOH A 137 12.165 -7.969 6.735 1.00 41.78 O HETATM 439 O HOH A 139 9.807 -15.492 0.417 1.00 43.71 O HETATM 440 O HOH A 140 6.728 11.797 14.925 1.00 57.40 O HETATM 441 O HOH A 141 13.829 -9.964 2.609 1.00 41.31 O HETATM 442 O HOH A 144 6.875 -5.809 20.726 1.00 42.22 O HETATM 443 O HOH A 146 -0.801 1.340 9.414 1.00 39.42 O HETATM 444 O HOH A 147 2.009 1.107 12.400 1.00 27.20 O HETATM 445 O HOH A 148 -0.859 0.717 12.242 1.00 57.69 O HETATM 446 O HOH A 149 0.336 3.207 11.295 1.00 33.27 O HETATM 447 O HOH A 150 2.100 1.695 9.539 1.00157.91 O HETATM 448 O HOH B 102 -3.193 -2.703 13.912 1.00 25.13 O HETATM 449 O HOH B 103 0.810 -1.714 8.150 1.00 31.95 O HETATM 450 O HOH B 104 2.276 -9.929 6.822 1.00 26.16 O HETATM 451 O HOH B 105 1.667 -9.471 11.814 1.00 31.49 O HETATM 452 O HOH B 107 -2.777 -0.549 12.179 1.00 34.65 O HETATM 453 O HOH B 108 4.707 -6.300 0.385 1.00 36.63 O HETATM 454 O HOH B 109 -4.640 -4.879 13.072 1.00 25.90 O HETATM 455 O HOH B 127 -7.827 -6.716 18.486 1.00 41.10 O HETATM 456 O HOH B 131 -7.270 4.876 20.527 1.00 43.08 O HETATM 457 O HOH B 135 -7.699 3.967 17.482 1.00 44.91 O HETATM 458 O HOH B 138 10.864 6.094 -2.591 1.00 44.92 O HETATM 459 O HOH B 142 -6.068 1.655 17.132 1.00 46.97 O HETATM 460 O HOH B 143 -4.008 11.359 25.226 1.00 44.54 O HETATM 461 O HOH B 145 9.270 -2.720 7.379 1.00 58.34 O HETATM 462 O HOH B 151 0.896 -0.791 10.463 1.00 42.20 O ENDMDL MASTER 0 0 0 0 0 0 2 6 460 2 0 2 END